ChemSpider 2D Image | (3alpha,5xi,22R,24E)-22-Acetoxy-3-hydroxylanosta-8,24-dien-26-oic acid | C32H50O5

(3α,5ξ,22R,24E)-22-Acetoxy-3-hydroxylanosta-8,24-dien-26-oic acid

  • Molecular FormulaC32H50O5
  • Average mass514.736 Da
  • Monoisotopic mass514.365845 Da
  • ChemSpider ID78437271

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 8 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3α,5ξ,22R,24E)-22-Acetoxy-3-hydroxylanosta-8,24-dien-26-oic acid [ACD/IUPAC Name]
(3α,5ξ,22R,24E)-22-Acetoxy-3-hydroxylanosta-8,24-dien-26-säure [German] [ACD/IUPAC Name]
Acide (3α,5ξ,22R,24E)-22-acétoxy-3-hydroxylanosta-8,24-dién-26-oïque [French] [ACD/IUPAC Name]
Lanosta-8,24-dien-26-oic acid, 22-(acetyloxy)-3-hydroxy-, (3α,5ξ,22R,24E)- [ACD/Index Name]
Astraodoric acid D

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 620.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.5±6.0 kJ/mol
Flash Point: 190.4±25.0 °C
Index of Refraction: 1.546
Molar Refractivity: 146.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 8.55
ACD/LogD (pH 5.5): 7.19
ACD/BCF (pH 5.5): 113386.32
ACD/KOC (pH 5.5): 88053.48
ACD/LogD (pH 7.4): 5.40
ACD/BCF (pH 7.4): 1839.30
ACD/KOC (pH 7.4): 1428.36
Polar Surface Area: 84 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 45.4±5.0 dyne/cm
Molar Volume: 461.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement